SCHEMBL7344816

SCHEMBL7344816

O=C(CCN1C(=O)CCC1=O)c1ccc(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ACKR3 P25106 2/20 0.37
TSHR P16473 1/20 0.36
MAP2K2 P36507 10/20 0.36
MAP2K1 Q02750 10/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7353966 0.86 ACKR3 (0.38) ACKR3MAP2K2MAP2K1
SCHEMBL7357845 0.83 ALDH1A1 (0.57) MAPTALDH1A1HSD17B10ACKR3TSHR
SCHEMBL7353407 0.81 SMN1; SMN2 (0.48) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL7353631 0.81 MAPT (0.38) MAPTALDH1A1HSD17B10ACKR3TSHR
SCHEMBL7352126 0.79 ALDH1A1 (0.47) MAPTALDH1A1HSD17B10ACKR3MAP2K2
SCHEMBL7352747 0.75 ALDH1A1 (0.43) MAPTALDH1A1HSD17B10ACKR3TSHR
SCHEMBL7348115 0.74 DRD2 (0.47) ALDH1A1HSD17B10ACKR3MAP2K2MAP2K1
SCHEMBL7352017 0.73 DRD2 (0.44) ALDH1A1HSD17B10ACKR3MAP2K2MAP2K1
SCHEMBL7353468 0.71 ALDH1A1 (0.34) MAPTALDH1A1HSD17B10MAP2K2MAP2K1
SCHEMBL1352151 0.71 PTPN1 (0.41) MAP2K2MAP2K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed